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N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C19H21N3O3S — CID 17016099

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(c3cccs3)N(C)C)no2)cc1
InChIInChI=1S/C19H21N3O3S/c1-22(2)16(18-5-4-10-26-18)12-20-19(23)15-11-17(25-21-15)13-6-8-14(24-3)9-7-13/h4-11,16H,12H2,1-3H3,(H,20,23)
InChIKeyPZNSTWFLCKDISZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17016099) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17016099
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(c3cccs3)N(C)C)no2)cc1
InChIInChI=1S/C19H21N3O3S/c1-22(2)16(18-5-4-10-26-18)12-20-19(23)15-11-17(25-21-15)13-6-8-14(24-3)9-7-13/h4-11,16H,12H2,1-3H3,(H,20,23)
InChIKeyPZNSTWFLCKDISZ-UHFFFAOYSA-N
XLogP3.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 17016099) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC(c3cccs3)N(C)C)no2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PZNSTWFLCKDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-22(2)16(18-5-4-10-26-18)12-20-19(23)15-11-17(25-21-15)13-6-8-14(24-3)9-7-13/h4-11,16H,12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17016099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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